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4,4'-O-DI-BETA-D-GLUCOPYRANOSYL-ROSMARINIC-ACID
SpectraBase Compound ID EEAuQU6m61h
InChI InChI=1S/C30H36O18/c31-10-19-22(36)24(38)26(40)29(47-19)45-16-4-1-12(7-14(16)33)3-6-21(35)44-18(28(42)43)9-13-2-5-17(15(34)8-13)46-30-27(41)25(39)23(37)20(11-32)48-30/h1-8,18-20,22-27,29-34,36-41H,9-11H2,(H,42,43)/b6-3+/t18-,19+,20-,22+,23-,24-,25+,26+,27-,29+,30-/m0/s1
InChIKey ZFVPSEAVZVYYEB-GWYBFTONSA-N
Mol Weight 684.6 g/mol
Molecular Formula C30H36O18
Exact Mass 684.190164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EqueIm4rc98
Name 4,4'-O-DI-BETA-D-GLUCOPYRANOSYL-ROSMARINIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H36O18
InChI InChI=1S/C30H36O18/c31-10-19-22(36)24(38)26(40)29(47-19)45-16-4-1-12(7-14(16)33)3-6-21(35)44-18(28(42)43)9-13-2-5-17(15(34)8-13)46-30-27(41)25(39)23(37)20(11-32)48-30/h1-8,18-20,22-27,29-34,36-41H,9-11H2,(H,42,43)/b6-3+/t18-,19+,20-,22+,23-,24-,25+,26+,27-,29+,30-/m0/s1
InChIKey ZFVPSEAVZVYYEB-GWYBFTONSA-N
Literature Reference Author T.SATAKE,K.KAMIYA,Y.SAIKI,T.HAMA,Y.FUJIMOTO,S.KITANAKA,Y.KIM URA,J.UZAWA,H.ENDANG
Literature Reference Citation CHEM.PHARM.BULL.,47,1444(1999)
Literature Reference DOI 10.1248/cpb.47.1444
Molecular Weight 684.605 g/mol
Solvent DMSO-D6
Source File Reference UWLU8328